Try beta.chemspider
- 7 of 10 defined stereocentres
2-{[(3beta,5alpha,7beta,8xi,9xi,10alpha,13alpha,14xi,17alpha)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino}ethanesulfonic acid
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CCC2[C@]1(CCC3C2[C@H](C[C@@H]4[C@]3(CC[C@@H](C4)OS(=O)(=O)O)C)O)C
InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17-,18+,19+,20?,21?,22+,24?,25-,26+/m1/s1
GLVWZDCWCRWVFM-GDVVYAQFSA-N
CSID:17216205, http://www.chemspider.com/Chemical-Structure.17216205.html (accessed 22:25, Jun 15, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
Advertisement
Spotlight